3-(1-butylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-butylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-butylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(1-butyl-3-pyrrolidinyl)thio]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-butylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(1-butylpyrrolidin-3-yl)thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H24N2O4S2 MolecularWeight: 372.50276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C1)SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O

Isomeric SMILES

CCCCN1CCC(C1)SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O

InChI

InChI=1S/C16H24N2O4S2/c1-3-4-6-17-7-5-10(8-17)23-16-12(15(21)22)18-13(20)11(9(2)19)14(18)24-16/h9-11,14,19H,3-8H2,1-2H3,(H,21,22)